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1-(4-TERTBUTYLPHENOXY)-2,4,6-TRINITROBENZENE

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1-(4-TERTBUTYLPHENOXY)-2,4,6-TRINITROBENZENE
SpectraBase Compound ID G3edUlF3Ch3
InChI InChI=1S/C16H15N3O7/c1-16(2,3)10-4-6-12(7-5-10)26-15-13(18(22)23)8-11(17(20)21)9-14(15)19(24)25/h4-9H,1-3H3
InChIKey MVSYFHIENNFSKP-UHFFFAOYSA-N
Mol Weight 361.31 g/mol
Molecular Formula C16H15N3O7
Exact Mass 361.091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EbJSSGO7KcE
Name 1-(4-TERT.-BUTYLPHENOXY)-2,4,6-TRINITROBENZENE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H15N3O7
InChI InChI=1S/C16H15N3O7/c1-16(2,3)10-4-6-12(7-5-10)26-15-13(18(22)23)8-11(17(20)21)9-14(15)19(24)25/h4-9H,1-3H3
InChIKey MVSYFHIENNFSKP-UHFFFAOYSA-N
Literature Reference Author A.LYCKA,V.MACHACEK,J.JIRMAN
Literature Reference Citation COLL.CZ.CH.COMM.,52,2946(1987)
Literature Reference DOI 10.1135/cccc19872946
Molecular Weight 361.311 g/mol
Solvent DMSO-D6
Source File Reference UWCS4867